21397 <common-name>Atipamezole</common-name> <description nil="true"/> <cas>104054-27-5</cas> <pubchem-id>71310</pubchem-id> <chemical-formula>C14H16N2</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-22T06:59:11Z</created-at> <updated-at type="dateTime">2026-05-14T19:10:01Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB11481</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCC1(CC2=CC=CC=C2C1)C1=CN=CN1</moldb-smiles> <moldb-formula>C14H16N2</moldb-formula> <moldb-inchi>InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)</moldb-inchi> <moldb-inchikey>HSWPZIDYAHLZDD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">212.296</moldb-average-mass> <moldb-mono-mass type="decimal">212.131348523</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.95</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM020292</chemdb-id> <dsstox-id>DTXSID2049135</dsstox-id> <toxcast-id>49135</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00069974</susdat-id> <iupac>5-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-1H-imidazole</iupac> <moldb-polar-surface-area>28.68</moldb-polar-surface-area> <moldb-refractivity>65.49119999999999</moldb-refractivity> <moldb-polarizability>24.321288910454</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>13.325187524123042</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>7.197165639932432</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>3.32</moldb-alogps-logp> <moldb-alogps-logs>-3.48</moldb-alogps-logs> <moldb-alogps-solubility>7.06e-02 g/l</moldb-alogps-solubility> </compound>